1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine

C17H27BrN2 — CID 105036409

IUPAC1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine
SMILESCCNC(CCC1CCCCC1)Cc1ccc(Br)cn1
InChIInChI=1S/C17H27BrN2/c1-2-19-16(10-8-14-6-4-3-5-7-14)12-17-11-9-15(18)13-20-17/h9,11,13-14,16,19H,2-8,10,12H2,1H3
InChIKeyUNAOUBTXDINYCD-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.73
Rot. Bonds7

About 1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine

1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine (PubChem CID 105036409) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine
PubChem CID105036409
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine
SMILESCCNC(CCC1CCCCC1)Cc1ccc(Br)cn1
InChIInChI=1S/C17H27BrN2/c1-2-19-16(10-8-14-6-4-3-5-7-14)12-17-11-9-15(18)13-20-17/h9,11,13-14,16,19H,2-8,10,12H2,1H3
InChIKeyUNAOUBTXDINYCD-UHFFFAOYSA-N
XLogP4.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 103169483
1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine
CID 105036172
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propylcyclohexyl)ethanamine
CID 104802554
1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine
CID 104802677
4-cyclopentyl-N-ethyl-1-phenylbutan-2-amine
CID 63526556
[1-(5-bromo-2-pyridinyl)-4-(oxan-2-yl)butan-2-yl]hydrazine
CID 105334479
1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 104801767
[1-(5-bromo-2-pyridinyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105334555
1-cyclobutyl-N-ethyl-3-(5-methyl-2-pyridinyl)propan-2-amine
CID 103164343
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 104802565
1-(5-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 105036122
4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine
CID 63527108

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine (CID 105036409) is 1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine is CCNC(CCC1CCCCC1)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine?
The InChIKey is UNAOUBTXDINYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-2-19-16(10-8-14-6-4-3-5-7-14)12-17-11-9-15(18)13-20-17/h9,11,13-14,16,19H,2-8,10,12H2,1H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine?
1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine has a molecular weight of 339.32 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine is sourced from PubChem (CID 105036409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).